N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-[4-(1-imidazolyl)phenyl]ethyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C24H27N5O5S MolecularWeight: 497.56668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C24H27N5O5S/c1-17-3-6-22(29(31)32)15-23(17)35(33,34)28-12-9-20(10-13-28)24(30)26-18(2)19-4-7-21(8-5-19)27-14-11-25-16-27/h3-8,11,14-16,18,20H,9-10,12-13H2,1-2H3,(H,26,30)